CID 145912872

3-oxabicyclo[4.1.0]heptane-7-carbaldehyde

Structural Information

Molecular Formula
C7H10O2
SMILES
C1COCC2C1C2C=O
InChI
InChI=1S/C7H10O2/c8-3-6-5-1-2-9-4-7(5)6/h3,5-7H,1-2,4H2
InChIKey
GPSFQOOKZONXJA-UHFFFAOYSA-N
Compound name
3-oxabicyclo[4.1.0]heptane-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 124.5
[M+Na]+ 149.05730 137.6
[M+NH4]+ 144.10190 134.6
[M+K]+ 165.03124 133.4
[M-H]- 125.06080 134.5
[M+Na-2H]- 147.04275 131.6
[M]+ 126.06753 130.3
[M]- 126.06863 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.